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Hydrochloric Acid → 5-[3-(3-Hydroxyphenyl)indolin-1-ylcarbonyl]-4,5,6,7-tetrahydrobenzimidazole

HRID 2338742
노트
인쇄 미리보기

반응식

HRID 2338742 반응식
[C:34](=[O:35])([OH:36])[O-:37].[ClH:1].[Na+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH:18][c:19]1[cH:20][c:21]([CH:25]2[CH2:26][NH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]32)[cH:22][cH:23][cH:24]1.[S:14]([Cl:15])([Cl:16])=[O:17].[n:2]1[cH:3][nH:4][c:5]2[c:6]1[CH2:7][CH2:8][CH:9]([C:11](=[O:12])[OH:13])[CH2:10]2>>[n:2]1[cH:3][nH:4][c:5]2[c:6]1[CH2:7][CH2:8][CH:9]([C:11](=[O:13])[N:27]1[CH2:26][CH:25]([c:21]3[cH:20][c:19]([OH:18])[cH:24][cH:23][cH:22]3)[c:33]3[c:28]1[cH:29][cH:30][cH:31][cH:32]3)[CH2:10]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 110301834,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
HCID 21222286
3-(3-Hydroxyphenyl)indoline

생성물 1

HCID 99287795-[3-(3-Hydroxyphenyl)indolin-1-ylcarbonyl]-4,5,6,7-tetrahydrobenzimidazole

출처 및 근거

ORD 기록
ord-c83ca223fa62424db9cfe826500ee694
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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